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CHEBI:59426 - N-{6-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]hexanoyl}sphingosylphosphocholine

ChEBI IDCHEBI:59426
ChEBI NameN-{6-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]hexanoyl}sphingosylphosphocholine
Stars
ASCII NameN-{6-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]hexanoyl}sphingosylphosphocholine
DefinitionA phosphosphingolipid that is sphingosylphosphocholine with the amino nitrogen converted into a 6-{[N-(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]}hexananamido group.
Last Modified21 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC35H63N6O9P
Net Charge0
Average Mass742.896
Monoisotopic Mass742.43941
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCNc1ccc([NH+]([O-])O)c2nonc12
InChIInChI=1S/C35H63N6O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-21-32(42)30(28-49-51(46,47)48-27-26-41(2,3)4)37-33(43)22-19-17-20-25-36-29-23-24-31(40(44)45)35-34(29)38-50-39-35/h18,21,23-24,30,32,40,42,44H,5-17,19-20,22,25-28H2,1-4H3,(H2-,36,37,39,43,46,47)/b21-18+/t30-,32+/m0/s1
InChIKeyFVZFCJBDAOCTMS-PERJAUJZSA-N
Roles Classification
Application:
fluorescent probe  A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
N-{6-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]hexanoyl}sphingosylphosphocholine (CHEBI:59426) has role fluorescent probe (CHEBI:39442)
N-{6-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]hexanoyl}sphingosylphosphocholine (CHEBI:59426) is a phosphosphingolipid (CHEBI:35786)
IUPAC Name 
(2S,3R,4E)-2-[(7-nitrobenzo-2,1,3-oxadiazol-4-yl)amino]-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
6-((N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)hexanoyl)sphingosyl phosphocholineChEBI
NBD-C6-SMChEBI
NBD-sphingomyelinChEBI
NBD-SMChEBI
Registry NumbersSources
Reaxys:9684644Reaxys
Citations